3-(imidazol-1-ylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]indole-6-carboxylic acid

Systemtic Name: 3-(imidazol-1-ylmethyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]indole-6-carboxylic acid Openeye Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid CAS Name: 3-(1-imidazolylmethyl)-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-6-indolecarboxylic acid IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Traditional Name: 1-[3-(4-benzylpiperidino)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCN3C=C(C4=C3C=C(C=C4)C(=O)O)CN5C=CN=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCN3C=C(C4=C3C=C(C=C4)C(=O)O)CN5C=CN=C5

InChI

InChI=1S/C28H32N4O2/c33-28(34)24-7-8-26-25(19-31-16-11-29-21-31)20-32(27(26)18-24)13-4-12-30-14-9-23(10-15-30)17-22-5-2-1-3-6-22/h1-3,5-8,11,16,18,20-21,23H,4,9-10,12-15,17,19H2,(H,33,34)